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88974-42-9 | 1H-Benzimidazole-2-methanol, 1-pentyl-
CAS No: 88974-42-9 Catalog No: AG00896E MDL No:MFCD02630593
Product Description
Catalog Number:
AG00896E
Chemical Name:
1H-Benzimidazole-2-methanol, 1-pentyl-
CAS Number:
88974-42-9
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD02630593
IUPAC Name:
(1-pentylbenzimidazol-2-yl)methanol
InChI:
InChI=1S/C13H18N2O/c1-2-3-6-9-15-12-8-5-4-7-11(12)14-13(15)10-16/h4-5,7-8,16H,2-3,6,9-10H2,1H3
InChI Key:
MBPKUACQBFWOCB-UHFFFAOYSA-N
SMILES:
CCCCCn1c(CO)nc2c1cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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